SCHEMBL30539397

SCHEMBL30539397

O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
TTR P02766 1/20 0.64
PPOX P50336 1/20 0.64
KMT2A Q03164 1/20 0.64
MRGPRX4 Q96LA9 6/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CCR1 P32246 1/20 0.48
CCR2 P41597 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
FFAR1 O14842 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8304645 1.00 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9863812 1.00 TDP1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL27592434 0.99 TDP1 (0.63) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11365185 0.92 TDP1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11029175 0.91 TDP1 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11168463 0.87 TDP1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8306962 0.85 MRGPRX4 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9378425 0.84 TDP1 (0.50) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10585649 0.84 ALDH1A1 (0.53) TDP1MEN1TTRKMT2AMRGPRX4
SCHEMBL10924171 0.84 CCR1 (0.60) TDP1MEN1TTRPPOXKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255163-A1 SOYBEAN VARIETY SYNGENTA CROP PROTECTION AG (CH) 2023-08-17 US disclosed